1-[3-ethyl-3-[(E)-4-(2-nitrophenyl)but-3-enyl]-2-oxidanylidene-piperidin-1-yl]butane-1,3-dione

Systemtic Name: 1-[3-ethyl-3-[(E)-4-(2-nitrophenyl)but-3-enyl]-2-oxidanylidene-piperidin-1-yl]butane-1,3-dione Openeye Name: 1-[3-ethyl-3-[(E)-4-(2-nitrophenyl)but-3-enyl]-2-oxo-1-piperidyl]butane-1,3-dione CAS Name: 1-[3-ethyl-3-[(E)-4-(2-nitrophenyl)but-3-enyl]-2-oxo-1-piperidinyl]butane-1,3-dione IUPAC Name: 1-[3-ethyl-3-[(E)-4-(2-nitrophenyl)but-3-enyl]-2-oxopiperidin-1-yl]butane-1,3-dione Traditional Name: 1-[3-ethyl-2-keto-3-[(E)-4-(2-nitrophenyl)but-3-enyl]piperidino]butane-1,3-dione Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCN(C1=O)C(=O)CC(=O)C)CCC=CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC1(CCCN(C1=O)C(=O)CC(=O)C)CC/C=C/C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5/c1-3-21(13-8-14-22(20(21)26)19(25)15-16(2)24)12-7-6-10-17-9-4-5-11-18(17)23(27)28/h4-6,9-11H,3,7-8,12-15H2,1-2H3/b10-6+